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CHEBI:168059 - 3,4,5-trihydroxy-6-[5-hydroxy-2-methoxy-4-(prop-2-en-1-yl)phenoxy]oxane-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:168059
ChEBI Name3,4,5-trihydroxy-6-[5-hydroxy-2-methoxy-4-(prop-2-en-1-yl)phenoxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O9
Net Charge0
Average Mass356.327
Monoisotopic Mass356.11073
SMILESC=CCc1cc(OC)c(OC2OC(C(=O)O)C(O)C(O)C2O)cc1O
InChIInChI=1S/C16H20O9/c1-3-4-7-5-9(23-2)10(6-8(7)17)24-16-13(20)11(18)12(19)14(25-16)15(21)22/h3,5-6,11-14,16-20H,1,4H2,2H3,(H,21,22)
InChIKeyTUXZCYWDCOQJOS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-[5-hydroxy-2-methoxy-4-(prop-2-en-1-yl)phenoxy]oxane-2-carboxylic acid (CHEBI:168059) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-(5-hydroxy-2-methoxy-4-prop-2-enylphenoxy)oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0135267HMDB